SCHEMBL12367284

SCHEMBL12367284

Cc1ccc(-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ACHE P22303 1/20 0.44
NOTUM Q6P988 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SCN5A Q14524 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KMT2A Q03164 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13664879 1.00 ENPP3 (0.45) ENPP3ENPP1TDP1ACHENOTUM
SCHEMBL987122 0.91 ACHE (0.53) TDP1ACHENOTUMNPC1RAB9A
SCHEMBL28308652 0.88 NR1H2 (0.44) ENPP3ENPP1TDP1ACHEHPGD
SCHEMBL10997473 0.88 NR1H2 (0.44) ENPP3ENPP1TDP1ACHEHPGD
SCHEMBL26566383 0.87 CYP1A2 (0.47) ENPP3ENPP1TDP1NPC1RAB9A
SCHEMBL27251937 0.87 ENPP3 (0.41) ENPP3ENPP1TDP1ACHENOTUM
SCHEMBL12367283 0.87 PTPN5 (0.44) ENPP3ENPP1TDP1NPC1RAB9A
SCHEMBL14269341 0.87 ALDH1A1 (0.39) ENPP3ENPP1TDP1ACHENOTUM
SCHEMBL23108908 0.85 NPC1 (0.44) ENPP3ENPP1NPC1RAB9ANFKB1
SCHEMBL13454735 0.85 NR1H2 (0.38) ENPP3ENPP1TDP1ACHENOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AOC2, NAT1, ALKBH1 ENPP3 1884/4885ENPP1 915/4885TDP1 702/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.